Zobrazeno 1 - 10
of 56
pro vyhledávání: '"Spectrum Analysi"'
Publikováno v:
Journal of Chemical Theory and Computation
The determination of accurate equilibrium molecular structures plays a fundamental role for understanding many physical-chemical properties of molecules, ranging from the precise evaluation of the electronic structure to the analysis of the role play
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ef4fb2263d24cb15cfdf24ac03b7fe5
https://doi.org/10.1021/acs.jctc.1c00788
https://doi.org/10.1021/acs.jctc.1c00788
Autor:
José L. Alonso, Cristina Puzzarini, Elena R. Alonso, Alice Balbi, Vincenzo Barone, Santiago Mata, Iker León, Lorenzo Spada, Nicola Tasinato
Publikováno v:
Chempluschem
New spectroscopic experiments and state‐of‐the‐art quantum‐chemical computations of creatinine in different aggregation states unequivocally unveiled a significant tuning of tautomeric equilibrium by the environment: from the exclusive presen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c716bbef5d0de60f19cedf8be487a5d0
https://doi.org/10.1002/cplu.202100224
https://doi.org/10.1002/cplu.202100224
Autor:
Alessio Melli, Mattia Melosso, Kevin G. Lengsfeld, Luca Bizzocchi, Víctor M. Rivilla, Luca Dore, Vincenzo Barone, Jens-Uwe Grabow, Cristina Puzzarini
Publikováno v:
Molecules; Volume 27; Issue 10; Pages: 3278
The processes and reactions that led to the formation of the first biomolecules on Earth play a key role in the highly debated theme of the origin of life. Whether the first chemical building blocks were generated on Earth (endogenous synthesis) or b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6e5afcca7ad6f364b8ba0522641020cd
https://pubmed.ncbi.nlm.nih.gov/35630755
https://pubmed.ncbi.nlm.nih.gov/35630755
Autor:
Yeonsig Nam, Francesco Montorsi, Daniel Keefer, Stefano M. Cavaletto, Jin Yong Lee, Artur Nenov, Marco Garavelli, Shaul Mukamel
Publikováno v:
Journal of chemical theory and computation. 18(5)
We theoretically monitor the photoinduced ∗ → n∗ internal conversion process in 4-thiouracil (4TU), triggered by an optical pump. The element-sensitive spectroscopic signatures are recorded by a resonant X-ray probe tuned to the sulfur, oxygen,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b42affd93999b1bd6f77a48b577f05d
https://pubmed.ncbi.nlm.nih.gov/35476905
https://pubmed.ncbi.nlm.nih.gov/35476905
Autor:
Gatti, L., Lugli, F., Sciutto, G., Zangheri, M., Prati, S., Mirasoli, M., Silvestrini, S., Benazzi, S., Tütken, T., Douka, K., Collina, C., Boschin, F., Romandini, M., Iacumin, P., Guardigli, M., Roda, A., Mazzeo, R.
Publikováno v:
Scientific Reports
Bones and teeth are biological archives, but their structure and composition are subjected to alteration overtime due to biological and chemical degradation postmortem, influenced by burial environment and conditions. Nevertheless, organic fraction p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fbc0be141bc3e7cdcaf4963f588455d6
https://doi.org/10.1038/s41598-022-08979-3
https://doi.org/10.1038/s41598-022-08979-3
Autor:
Chiara Schiattarella, Luigi Vitagliano, Giancarlo Morelli, Raffaele Velotta, Enrico Gallo, Antonella Accardo, Carlo Diaferia, Bartolomeo Della Ventura
Publikováno v:
Scientific Reports
Scientific Reports, Vol 12, Iss 1, Pp 1-10 (2022)
Scientific Reports, Vol 12, Iss 1, Pp 1-10 (2022)
The self-assembling of small peptides not only leads to the formation of intriguing nanoarchitectures, but also generates materials with unexpected functional properties. Oligopeptides can form amyloid-like cross-β assemblies that are able to emit i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aa10e5dbde9029303a005ebd0151bb39
https://doi.org/10.1038/s41598-021-04394-2
https://doi.org/10.1038/s41598-021-04394-2
Autor:
Gianluca Del Frate, Marina Macchiagodena, Muhammad Jan Akhunzada, Francesca D’Autilia, Andrea Catte, Nicholus Bhattacharjee, Vincenzo Barone, Francesco Cardarelli, Giuseppe Brancato
Publikováno v:
The Journal of Physical Chemistry. B
An integrated theoretical/experimental strategy has been applied to the study of environmental effects on the spectroscopic parameters of 4-(diphenylamino)phtalonitrile (DPAP), a fluorescent molecular rotor. The computational part starts from the dev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee037d5ac7f6aa60ec76af6bae60f2d4
https://pubmed.ncbi.nlm.nih.gov/35001625
https://pubmed.ncbi.nlm.nih.gov/35001625
The present study compares the dynamic properties and seismic performances offered by reinforced concrete frame structures characterized by different beams distribution. The understanding of the influence of beams distribution on spatial frames is no
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38ab15d8af248501374bcd006f3e0d8e
https://hdl.handle.net/11585/905662
https://hdl.handle.net/11585/905662
Polycyclic aromatic hydrocarbons (PAHs) and polycyclic aromatic nitrogen heterocycles (PANHs) are important and ubiquitous species in space. However, their accurate structural and spectroscopic characterization is often missing. To fill this gap, we
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b0f4b0c9d96b3d7a50291078bac88020
https://hdl.handle.net/11585/900721
https://hdl.handle.net/11585/900721
Publikováno v:
Archivio istituzionale della Ricerca-Scuola Normale Superiore
UnpayWall
Microsoft Academic Graph
Journal of Visualized Experiments
UnpayWall
Microsoft Academic Graph
Journal of Visualized Experiments
Imaging-derived mean square displacement (iMSD) is used to address the structural and dynamic properties of subcellular nanostructures, such as vesicles involved in the endo/exocytotic trafficking of solutes and biomolecules. iMSD relies on standard
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c5169334e46bba449a2796313b02b35
https://www.jove.com/pdf/62790/probing-structural-dynamic-properties-trafficking-subcellular
https://www.jove.com/pdf/62790/probing-structural-dynamic-properties-trafficking-subcellular